UCSF

ZINC27587374

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 22 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) 1.78 3.79 -15.95 1 5 0 55 302.374 5
Mid Mid (pH 6-8) 1.78 6.13 -51.66 2 5 1 56 303.382 5

Activity (Go SEA)

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