UCSF

ZINC16777152

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 25 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.18 6.8 -38.94 1 5 -1 77 389.243 2
Ref Reference (pH 7) 5.67 6.88 -9.47 2 5 0 78 390.251 1
Mid Mid (pH 6-8) 5.64 4.85 -99.84 0 5 -2 80 388.235 2
Mid Mid (pH 6-8) 6.13 4.92 -42.5 1 5 -1 81 389.243 1
Mid Mid (pH 6-8) 6.13 5.57 -41.44 1 5 -1 81 389.243 1
Mid Mid (pH 6-8) 6.13 5.21 -43.93 1 5 -1 81 389.243 1
Mid Mid (pH 6-8) 6.13 5.07 -44.27 1 5 -1 81 389.243 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )