UCSF

ZINC35150079

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 16 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) -0.20 1.92 -39.93 2 5 1 54 231.316 7
Mid Mid (pH 6-8) -0.20 -0.35 -7.12 1 5 0 53 230.308 7
Mid Mid (pH 6-8) -0.20 2 -36.32 2 5 1 54 231.316 7

Activity (Go SEA)

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