UCSF

ZINC36264210

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 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) 3.65 6.04 -14.12 2 5 0 75 364.442 6
Mid Mid (pH 6-8) 3.65 6.06 -44.43 1 5 -1 77 363.434 6

Activity (Go SEA)

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