UCSF

ZINC38000665

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 1.96 4.35 -33.76 4 4 1 60 264.393 9
Hi High (pH 8-9.5) 1.96 2.19 -8.94 3 4 0 58 263.385 9

Activity (Go SEA)

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