UCSF

ZINC11773450

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2008 32 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) 3.89 3.12 -94.95 2 5 2 42 443.607 8

Activity (Go SEA)

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