UCSF

ZINC38000835

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 2.27 2.88 -42.95 4 4 1 63 284.468 7
Hi High (pH 8-9.5) 2.27 2.11 -6.82 3 4 0 58 283.46 7
Mid Mid (pH 6-8) 2.27 4.58 -43.41 4 4 1 60 284.468 7
Lo Low (pH 4.5-6) 2.27 5.36 -121.02 5 4 2 64 285.476 7

Activity (Go SEA)

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