UCSF

ZINC27655935

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 20 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) -2.41 -0 -70.12 6 10 1 153 283.268 7
Mid Mid (pH 6-8) -2.41 -0.39 -31.25 5 10 0 151 282.26 7

Activity (Go SEA)

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