UCSF

ZINC34577262

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 4.89 9.6 -18.98 2 3 0 20 284.427 6
Hi High (pH 8-9.5) 4.89 9.53 -4.42 1 3 0 19 283.419 6
Mid Mid (pH 6-8) 4.89 10.39 -40.04 3 3 0 21 285.435 6

Activity (Go SEA)

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