UCSF

ZINC21799948

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 22 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) 3.88 11.2 -49.99 1 3 1 22 312.824 2
Mid Mid (pH 6-8) 3.88 9.33 -9.14 0 3 0 21 311.816 2
Mid Mid (pH 6-8) 3.88 9.81 -29.25 1 3 1 22 312.824 2

Activity (Go SEA)

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