UCSF

ZINC36330992

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 16 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) 1.99 3.41 -63.93 2 3 1 51 280.822 3
Mid Mid (pH 6-8) 1.99 2.22 -13.18 1 3 0 46 279.814 3

Activity (Go SEA)

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