UCSF

ZINC00201044

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 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) 2.91 9.32 -20.68 1 5 0 64 335.407 7
Mid Mid (pH 6-8) 2.91 9.72 -44.43 2 5 1 65 336.415 7
Lo Low (pH 4.5-6) 3.10 7.33 -33.25 2 5 1 69 336.415 7

Activity (Go SEA)

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