UCSF

ZINC34685407

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 26 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) 1.52 5.67 -10.57 0 6 0 49 372.494 4
Mid Mid (pH 6-8) 1.52 7.92 -54.59 1 6 1 50 373.502 4

Activity (Go SEA)

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