UCSF

ZINC00707150

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 28 Yes

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) 2.54 -0.96 -13.23 0 8 0 82 381.436 4
Mid Mid (pH 6-8) 2.54 -0.71 -37.23 1 8 1 83 382.444 4

Activity (Go SEA)

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