UCSF

ZINC36158504

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 0.63 2.7 -44.44 3 5 1 73 263.296 3
Hi High (pH 8-9.5) 0.63 1.33 -8.19 2 5 0 68 262.288 3

Activity (Go SEA)

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