UCSF

ZINC71312070

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2011 19 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) 3.21 7.26 -34.84 2 2 1 16 255.385 4
Lo Low (pH 4.5-6) 3.21 7.03 -42.8 2 2 1 20 255.385 4
Lo Low (pH 4.5-6) 3.21 8.7 -116.13 3 2 2 21 256.393 4

Activity (Go SEA)

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