UCSF

ZINC35717443

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 3.53 7.13 -35.88 2 3 1 37 279.429 3
Hi High (pH 8-9.5) 3.53 5.95 -7.52 1 3 0 32 278.421 3

Activity (Go SEA)

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