UCSF

ZINC19775441

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 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) 3.13 6.2 -40.77 4 4 1 60 264.393 7
Hi High (pH 8-9.5) 3.13 3.93 -10.58 3 4 0 58 263.385 7

Activity (Go SEA)

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