UCSF

ZINC36853622

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 No

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) 0.10 1.02 -46.69 3 4 1 63 185.247 3
Mid Mid (pH 6-8) 0.28 -1.52 -40.12 2 4 0 69 184.239 3
Mid Mid (pH 6-8) 0.28 -1.56 -39.25 2 4 0 69 184.239 3

Activity (Go SEA)

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