UCSF

ZINC02640025

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 28 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) 4.99 10.03 -18.28 1 5 0 66 407.52 5
Mid Mid (pH 6-8) 5.66 -3.3 -14.02 1 5 0 66 413.568 5
Mid Mid (pH 6-8) 5.45 8.79 -48.43 0 5 -1 69 406.512 5

Activity (Go SEA)

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