UCSF

ZINC05561931

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 28 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) 5.01 15.62 -13.88 0 4 0 43 368.415 3
Mid Mid (pH 6-8) 5.01 16.62 -48.35 2 4 1 47 369.423 3
Lo Low (pH 4.5-6) 5.01 15.95 -36.35 1 4 1 45 369.423 3

Activity (Go SEA)

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