UCSF

ZINC36746986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 21 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) 2.70 6.96 -48.68 4 3 1 60 283.395 8
Hi High (pH 8-9.5) 2.70 5.92 -10.24 3 3 0 55 282.387 8

Activity (Go SEA)

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