UCSF

ZINC36190722

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.35 0.69 -10.4 0 6 0 59 306.428 6
Mid Mid (pH 6-8) 0.35 2.69 -46.58 1 6 1 60 307.436 6

Activity (Go SEA)

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