UCSF

ZINC00534783

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 4.08 12.77 -14.11 1 5 0 64 305.385 2
Lo Low (pH 4.5-6) 4.08 13.19 -29.38 2 5 1 65 306.393 2
Lo Low (pH 4.5-6) 4.08 13.18 -28.14 2 5 1 65 306.393 2

Activity (Go SEA)

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