UCSF

ZINC39372567

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 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) 1.04 3.29 -6.31 0 5 0 42 310.438 4
Mid Mid (pH 6-8) 1.04 5.07 -40.74 1 5 1 43 311.446 4
Lo Low (pH 4.5-6) 1.04 6.58 -89.31 2 5 2 44 312.454 4

Activity (Go SEA)

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