UCSF

ZINC70615882

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 15 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) 0.84 0.04 -47.85 5 4 1 84 246.743 4
Mid Mid (pH 6-8) 0.84 -0.3 -9.07 4 4 0 82 245.735 4

Activity (Go SEA)

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