UCSF

ZINC36132574

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 16 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) 0.53 5.23 -45.18 0 5 -1 70 228.268 4
Lo Low (pH 4.5-6) 0.53 3.25 -7.95 1 5 0 67 229.276 4

Activity (Go SEA)

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