UCSF

ZINC34628047

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 25 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) 3.28 7.84 -42.61 2 4 1 43 344.475 4
Mid Mid (pH 6-8) 3.28 6.1 -7.92 1 4 0 42 343.467 4

Activity (Go SEA)

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