UCSF

ZINC15016126

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 5.74 6.81 -7.97 2 5 0 78 390.251 1
Mid Mid (pH 6-8) 6.66 3.04 -99.59 0 5 -2 84 388.235 1
Mid Mid (pH 6-8) 6.20 5 -42.03 1 5 -1 81 389.243 1
Mid Mid (pH 6-8) 6.20 4.87 -38.62 1 5 -1 81 389.243 1
Mid Mid (pH 6-8) 6.20 5.28 -37.34 1 5 -1 81 389.243 1
Mid Mid (pH 6-8) 6.20 5.69 -40.42 1 5 -1 81 389.243 1
Mid Mid (pH 6-8) 6.66 3.72 -97.23 0 5 -2 84 388.235 1

Activity (Go SEA)

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