UCSF

ZINC37020098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.98 3.42 -47.33 4 5 1 73 251.354 5
Hi High (pH 8-9.5) 0.98 3.13 -7.81 3 5 0 71 250.346 5
Mid Mid (pH 6-8) 0.98 3.79 -90.29 5 5 2 74 252.362 5

Activity (Go SEA)

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