UCSF

ZINC13828060

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 34 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) 5.51 14.35 -126.34 0 8 -2 111 450.502 8
Mid Mid (pH 6-8) 5.51 14.58 -83 1 8 -1 112 451.51 8
Lo Low (pH 4.5-6) 5.51 14.67 -50.87 2 8 0 114 452.518 8

Activity (Go SEA)

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