UCSF

ZINC37098690

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 2.38 6.29 -51.08 3 3 1 44 230.335 4
Hi High (pH 8-9.5) 2.38 5.87 -6.64 2 3 0 42 229.327 4
Mid Mid (pH 6-8) 2.38 6.75 -98.74 4 3 2 45 231.343 4

Activity (Go SEA)

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