UCSF

ZINC36155167

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) 0.81 2.48 -44.19 2 5 1 54 254.306 4
Hi High (pH 8-9.5) 0.81 1.11 -7.68 1 5 0 49 253.298 4

Activity (Go SEA)

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