UCSF

ZINC60253194

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 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) 1.86 5.26 -96.69 3 2 2 21 172.316 4
Mid Mid (pH 6-8) 1.86 2.93 -35.04 2 2 1 20 171.308 4

Activity (Go SEA)

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