UCSF

ZINC34560673

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 0.93 4.03 -7.67 1 4 0 50 267.3 4
Lo Low (pH 4.5-6) 0.93 5.66 -33.98 2 4 1 51 268.308 4

Activity (Go SEA)

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