UCSF

ZINC45697588

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 1.92 6.38 -99.6 4 3 2 41 317.271 8
Hi High (pH 8-9.5) 1.92 4.98 -36.07 3 3 1 37 316.263 8

Activity (Go SEA)

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