UCSF

ZINC42821030

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 3.28 7.11 -38.01 2 2 1 26 303.195 4
Hi High (pH 8-9.5) 3.28 5.76 -2.93 1 2 0 21 302.187 4

Activity (Go SEA)

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