UCSF

ZINC42172306

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 10 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) 0.57 3.3 -102.56 4 2 2 33 144.262 4
Hi High (pH 8-9.5) 0.57 2.14 -33.23 3 2 1 29 143.254 4

Activity (Go SEA)

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