UCSF

ZINC05460542

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 24 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) 4.75 8.15 -10.58 1 5 0 83 383.256 5
Mid Mid (pH 6-8) 4.75 8.04 -33.7 0 5 -1 86 382.248 5
Mid Mid (pH 6-8) 4.75 8.92 -39.16 0 5 -1 86 382.248 5

Activity (Go SEA)

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