UCSF

ZINC00417915

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 3.21 9.58 -11.21 1 4 0 42 278.359 3
Lo Low (pH 4.5-6) 3.21 9.74 -31.74 2 4 1 47 279.367 3
Lo Low (pH 4.5-6) 3.21 10.04 -25.55 2 4 1 43 279.367 3

Activity (Go SEA)

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