UCSF

ZINC41680191

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) 1.81 4.71 -107.09 5 4 2 61 245.411 8
Hi High (pH 8-9.5) 2.00 2.71 -40.62 4 4 1 67 244.403 8

Activity (Go SEA)

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