UCSF

ZINC38000185

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 3.58 7.05 -8.26 1 4 0 53 311.168 3
Hi High (pH 8-9.5) 3.58 8.06 -51.87 0 4 -1 56 310.16 3

Activity (Go SEA)

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