UCSF

ZINC34958702

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 14 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) 1.20 2.25 -43.96 3 3 1 44 260.155 2
Mid Mid (pH 6-8) 1.20 4.51 -108.99 4 3 2 45 261.163 2

Activity (Go SEA)

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