UCSF

ZINC10301908

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2007 20 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) 3.64 -2.87 -12.14 1 4 0 55 360.204 4
Hi High (pH 8-9.5) 3.64 -2.29 -44.35 0 4 -1 57 359.196 4

Activity (Go SEA)

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