UCSF

ZINC08854014

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 31 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) 8.15 16.64 -7.71 1 2 0 29 483.434 5
Mid Mid (pH 6-8) 8.16 -0.33 -35.12 2 2 1 29 484.442 5

Activity (Go SEA)

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