UCSF

ZINC37013711

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.65 4.91 -31.32 4 5 1 72 271.344 3
Hi High (pH 8-9.5) 1.65 4.44 -10.97 3 5 0 71 270.336 3

Activity (Go SEA)

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