UCSF

ZINC22936503

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 3.80 8.7 -36.62 2 2 1 20 261.433 6
Mid Mid (pH 6-8) 3.80 9.23 -28.19 2 2 1 16 261.433 6
Lo Low (pH 4.5-6) 3.80 10.49 -114.76 3 2 2 21 262.441 6

Activity (Go SEA)

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