UCSF

ZINC08011953

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2006 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) 0.43 7.7 -21.23 1 9 0 108 355.354 4
Mid Mid (pH 6-8) 0.43 8.18 -56.01 2 9 1 109 356.362 4

Activity (Go SEA)

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