UCSF

ZINC37079676

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.18 6.56 -130.87 4 4 2 51 357.292 5
Mid Mid (pH 6-8) 2.18 4.48 -49.13 3 4 1 49 356.284 5
Mid Mid (pH 6-8) 2.18 6.93 -33.79 3 4 1 49 356.284 5

Activity (Go SEA)

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