UCSF

ZINC36618589

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 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) 4.30 11.56 -38.72 1 5 1 43 367.395 5
Mid Mid (pH 6-8) 4.30 9.34 -7.26 0 5 0 41 366.387 5

Activity (Go SEA)

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