UCSF

ZINC03944533

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 37 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) 4.61 5.26 -46.81 0 11 -1 132 503.539 13
Mid Mid (pH 6-8) 4.61 5.4 -54.32 1 11 0 133 504.547 13

Activity (Go SEA)

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