UCSF

ZINC42276995

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 0.23 2.42 -35.55 2 5 1 55 245.343 6
Mid Mid (pH 6-8) 0.23 1.02 -5.47 1 5 0 51 244.335 6

Activity (Go SEA)

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