UCSF

ZINC25379507

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 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) 3.60 6.47 -20.27 2 7 0 97 459.955 8
Mid Mid (pH 6-8) 3.60 6.54 -52.26 1 7 -1 99 458.947 8
Lo Low (pH 4.5-6) 3.60 6.9 -58.95 3 7 1 99 460.963 8

Activity (Go SEA)

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