UCSF

ZINC34577366

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) 2.38 4.19 -56.45 2 6 -1 99 266.273 6
Lo Low (pH 4.5-6) 2.38 2.21 -11.53 3 6 0 96 267.281 6

Activity (Go SEA)

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