UCSF

ZINC70515882

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 2.17 6.3 -30.45 3 4 1 55 288.415 6
Mid Mid (pH 6-8) 2.17 6.74 -80.91 4 4 2 56 289.423 6

Activity (Go SEA)

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