UCSF

ZINC36982112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.11 8.59 -27.95 2 3 1 29 272.347 4
Hi High (pH 8-9.5) 3.11 8.14 -6.9 1 3 0 28 271.339 4

Activity (Go SEA)

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