UCSF

ZINC19773439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 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) 3.48 9.5 -43.38 1 2 1 8 305.442 5
Mid Mid (pH 6-8) 3.48 9.45 -38.19 1 2 1 8 305.442 5
Mid Mid (pH 6-8) 3.48 7.13 -4.29 0 2 0 6 304.434 5

Activity (Go SEA)

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