UCSF

ZINC34685668

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 36 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) 4.84 11.85 -16.77 0 6 0 53 495.639 6
Mid Mid (pH 6-8) 4.84 14.22 -53.78 1 6 1 54 496.647 6

Activity (Go SEA)

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