UCSF

ZINC37693692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 12 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) 0.47 1.29 -32.99 2 3 1 28 173.28 3
Mid Mid (pH 6-8) 0.47 -1.09 -3.05 1 3 0 27 172.272 3
Lo Low (pH 4.5-6) 0.47 1.16 -32.77 2 3 1 28 173.28 3

Activity (Go SEA)

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