UCSF

ZINC50860910

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2010 22 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) 3.00 9.99 -50.22 2 3 1 34 292.406 3
Lo Low (pH 4.5-6) 3.00 10.36 -98.73 3 3 2 36 293.414 3

Activity (Go SEA)

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