UCSF

ZINC29393171

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 25 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) 4.80 12.18 -47.93 2 3 1 29 335.471 6
Mid Mid (pH 6-8) 4.80 9.9 -9.43 1 3 0 28 334.463 6

Activity (Go SEA)

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