UCSF

ZINC37133478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 22 No

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) 2.18 7.25 -61.88 1 4 -1 49 308.386 1
Mid Mid (pH 6-8) 1.45 7.73 -33.84 2 4 0 52 309.394 1

Activity (Go SEA)

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