UCSF

ZINC44725440

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 2.39 7.78 -79.46 3 3 2 24 267.461 5
Hi High (pH 8-9.5) 2.39 8.6 -103.07 3 3 2 21 267.461 5
Hi High (pH 8-9.5) 2.39 5.39 -36.35 2 3 1 23 266.453 5

Activity (Go SEA)

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