UCSF

ZINC44683820

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 3.17 8.02 -42.28 2 2 1 20 267.396 4
Hi High (pH 8-9.5) 3.17 6.8 -3.3 1 2 0 15 266.388 4
Mid Mid (pH 6-8) 3.17 9.14 -34.25 2 2 1 16 267.396 4

Activity (Go SEA)

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