UCSF

ZINC61041210

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2011 19 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) 1.88 6.21 -35.7 2 4 1 37 266.409 4
Hi High (pH 8-9.5) 1.88 4.28 -6.54 1 4 0 36 265.401 4
Mid Mid (pH 6-8) 1.88 6.07 -34.12 2 4 1 37 266.409 4

Activity (Go SEA)

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