UCSF

ZINC43424019

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 1.29 1.57 -50.98 3 3 1 40 253.288 3
Hi High (pH 8-9.5) 1.29 1.35 -2.67 2 3 0 38 252.28 3

Activity (Go SEA)

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