UCSF

ZINC01447012

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 21 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) 5.26 11.93 -9.15 0 2 0 18 278.399 4
Mid Mid (pH 6-8) 5.26 12.34 -28.43 1 2 1 19 279.407 4

Activity (Go SEA)

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