UCSF

ZINC42951702

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 16 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) 2.34 7.07 -121.45 4 2 2 32 285.229 3
Hi High (pH 8-9.5) 2.34 6.84 -35.07 3 2 1 30 284.221 3
Mid Mid (pH 6-8) 2.34 5.23 -40.14 3 2 1 31 284.221 3

Activity (Go SEA)

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