UCSF

ZINC15277599

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2008 32 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) 0.16 7.46 -54.23 2 8 -1 119 437.472 6
Ref Reference (pH 7) 0.16 8.04 -52.04 2 8 -1 119 437.472 6
Mid Mid (pH 6-8) 0.16 7.89 -36.5 3 8 0 124 438.48 6
Mid Mid (pH 6-8) 0.16 9 -33.28 3 8 0 124 438.48 6

Activity (Go SEA)

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