UCSF

ZINC20523814

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.30 6.22 -32.93 2 3 1 26 261.389 4
Mid Mid (pH 6-8) 2.30 5.06 -35.31 2 3 1 29 261.389 4
Lo Low (pH 4.5-6) 2.30 7.59 -101.53 3 3 2 30 262.397 4

Activity (Go SEA)

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