UCSF

ZINC16597032

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 20 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) 2.68 7.3 -11.79 1 4 0 56 265.316 3
Mid Mid (pH 6-8) 2.75 5.84 -43.58 2 4 0 61 266.324 3
Lo Low (pH 4.5-6) 2.68 8.06 -63.48 2 4 0 57 266.324 3

Activity (Go SEA)

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