UCSF

ZINC37040997

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.37 -0.13 -51.57 6 6 1 98 251.31 4
Hi High (pH 8-9.5) 0.37 -0.47 -17.42 5 6 0 96 250.302 4

Activity (Go SEA)

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