UCSF

ZINC50003688

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 15 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) 2.65 7.35 -29.28 2 2 1 20 211.304 5
Hi High (pH 8-9.5) 2.65 6.99 -2.74 1 2 0 15 210.296 5

Activity (Go SEA)

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