UCSF

ZINC37273704

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 2.92 5.37 -3.17 1 3 0 24 292.398 6
Mid Mid (pH 6-8) 2.92 6.84 -40.47 2 3 1 29 293.406 6
Lo Low (pH 4.5-6) 2.92 7.79 -38.33 2 3 1 26 293.406 6
Lo Low (pH 4.5-6) 2.92 8.73 -127.33 3 3 2 30 294.414 6

Activity (Go SEA)

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