UCSF

ZINC21812797

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 3.96 7.48 -38.78 2 2 1 20 267.481 4
Lo Low (pH 4.5-6) 3.96 9.83 -108.46 3 2 2 21 268.489 4

Activity (Go SEA)

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