UCSF

ZINC36203922

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 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) 3.43 9.33 -49.59 2 4 1 50 334.852 4
Mid Mid (pH 6-8) 3.89 6.89 -40.67 1 4 0 53 333.844 4

Activity (Go SEA)

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