UCSF

ZINC20684483

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 29 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) 3.71 9.4 -55.31 3 6 1 79 417.53 7
Mid Mid (pH 6-8) 4.17 8.35 -47.85 2 6 0 82 416.522 7

Activity (Go SEA)

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