UCSF

ZINC36723134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 14 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) 0.50 6.1 -31.36 2 3 0 57 197.209 4
Hi High (pH 8-9.5) 0.50 5 -43.97 1 3 -1 52 196.201 4

Activity (Go SEA)

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