UCSF

ZINC34085486

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 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) 1.16 8.21 -17.26 0 4 0 68 266.337 3
Hi High (pH 8-9.5) 1.75 6.52 -41.84 0 4 -1 74 265.329 2

Activity (Go SEA)

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