UCSF

ZINC37833658

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.77 5.65 -47.55 0 5 -1 64 251.306 4
Mid Mid (pH 6-8) 0.77 7.86 -71.84 1 5 0 65 252.314 4
Lo Low (pH 4.5-6) 0.77 5.86 -45.78 2 5 1 62 253.322 4

Activity (Go SEA)

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