UCSF

ZINC34987719

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 4.42 11.79 -40.7 4 6 1 93 505.658 12
Mid Mid (pH 6-8) 4.42 10.49 -23.69 3 6 0 88 504.65 12

Activity (Go SEA)

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