UCSF

ZINC37845347

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.71 7 -43.95 1 3 1 25 316.244 1
Mid Mid (pH 6-8) 1.71 4.86 -8.36 0 3 0 24 315.236 1

Activity (Go SEA)

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