UCSF

ZINC42407988

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 4.06 7.1 -40.23 2 2 1 29 267.443 5
Hi High (pH 8-9.5) 4.06 5.86 -5.98 1 2 0 25 266.435 5

Activity (Go SEA)

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