UCSF

ZINC50660005

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 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) 0.53 3.18 -48.47 3 8 0 111 292.324 3
Mid Mid (pH 6-8) 0.53 2.7 -59.67 2 8 -1 109 291.316 3
Mid Mid (pH 6-8) 0.53 3.14 -17.95 3 8 0 107 292.324 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.