UCSF

ZINC09803611

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2007 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) 2.35 0.84 -19.55 1 8 0 90 355.398 4
Mid Mid (pH 6-8) 2.35 1.12 -54.95 2 8 1 92 356.406 4

Activity (Go SEA)

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