UCSF

ZINC37102641

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 2.97 6.73 -34.76 2 3 1 43 214.329 6
Mid Mid (pH 6-8) 2.97 5.64 -2.67 1 3 0 38 213.321 6

Activity (Go SEA)

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