UCSF

ZINC00813404

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 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) 3.07 7.88 -10 1 4 0 51 268.345 3
Lo Low (pH 4.5-6) 3.07 7.75 -31.22 2 4 1 52 269.353 3
Lo Low (pH 4.5-6) 3.07 8.01 -75.07 3 4 2 53 270.361 3
Lo Low (pH 4.5-6) 3.07 8.14 -33.05 2 4 1 52 269.353 3

Activity (Go SEA)

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