UCSF

ZINC37157205

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 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) 1.41 8.21 -82.98 3 4 2 36 252.406 6
Mid Mid (pH 6-8) 1.41 7.69 -34.83 2 4 1 34 251.398 6
Lo Low (pH 4.5-6) 1.41 9.28 -186.92 4 4 3 40 253.414 6

Activity (Go SEA)

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