UCSF

ZINC38040487

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2009 12 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) 1.87 3.25 -36.26 3 2 1 29 171.308 5
Mid Mid (pH 6-8) 1.87 3.4 -36.36 3 2 1 29 171.308 5
Mid Mid (pH 6-8) 1.87 4.58 -102.72 4 2 2 33 172.316 5

Activity (Go SEA)

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