UCSF

ZINC34613202

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 26 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) 0.56 10.19 -67.76 0 6 -1 75 359.377 3
Mid Mid (pH 6-8) 0.56 8.19 -15.93 1 6 0 72 360.385 3
Lo Low (pH 4.5-6) -2.16 7.75 -29.76 1 6 0 78 360.385 2

Activity (Go SEA)

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