UCSF

ZINC38001563

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 14 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) 2.92 5.7 -35.84 2 2 1 16 278.239 5
Hi High (pH 8-9.5) 2.92 3.24 -1.8 1 2 0 15 277.231 5
Lo Low (pH 4.5-6) 2.92 6.91 -114.28 3 2 2 21 279.247 5

Activity (Go SEA)

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