UCSF

ZINC70613909

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 13 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) 2.83 6.98 -39.56 1 2 1 22 184.303 4
Mid Mid (pH 6-8) 2.21 5.95 -24.69 1 2 0 27 183.295 3

Activity (Go SEA)

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