UCSF

ZINC42776618

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.73 2.72 -11.63 2 4 0 61 291.269 7
Hi High (pH 8-9.5) 2.73 3.72 -55.21 1 4 -1 64 290.261 7
Lo Low (pH 4.5-6) 2.73 4.53 -47.61 3 4 1 62 292.277 7

Activity (Go SEA)

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