UCSF

ZINC15776338

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 29 No

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) 0.18 0.29 -24.05 5 12 0 192 396.319 5
Ref Reference (pH 7) 0.00 0.41 -47.29 6 12 1 190 397.327 6
Mid Mid (pH 6-8) 0.64 -1.62 -47.66 4 12 -1 195 395.311 5
Mid Mid (pH 6-8) 0.64 -1.35 -45.34 4 12 -1 195 395.311 5

Activity (Go SEA)

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