UCSF

ZINC42409627

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 13 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) 2.19 6.87 -97.24 3 2 2 21 188.359 8
Hi High (pH 8-9.5) 2.19 5.53 -31.21 2 2 1 16 187.351 8
Mid Mid (pH 6-8) 2.19 4.88 -35.15 2 2 1 20 187.351 8

Activity (Go SEA)

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