UCSF

ZINC44270563

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) 1.59 3.11 -47.04 4 3 1 57 247.24 3
Hi High (pH 8-9.5) 1.59 2.79 -7.54 3 3 0 55 246.232 3

Activity (Go SEA)

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