UCSF

ZINC20757699

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 36 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) 0.43 8.9 -56.23 3 10 -1 153 493.54 10
Hi High (pH 8-9.5) 0.89 7.78 -101.2 2 10 -2 156 492.532 10

Activity (Go SEA)

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