UCSF

ZINC19606481

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 16 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) 2.60 7.46 -34.1 1 2 1 8 221.368 5
Hi High (pH 8-9.5) 2.60 5.42 -2.05 0 2 0 6 220.36 5
Mid Mid (pH 6-8) 2.60 7.84 -36.5 1 2 1 8 221.368 5
Lo Low (pH 4.5-6) 2.60 9.65 -109.56 2 2 2 9 222.376 5

Activity (Go SEA)

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