UCSF

ZINC37110446

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 2.23 6.51 -106.01 3 2 2 21 186.343 4
Hi High (pH 8-9.5) 2.23 5.01 -30.95 2 2 1 20 185.335 4
Mid Mid (pH 6-8) 2.23 5.23 -29.72 2 2 1 16 185.335 4

Activity (Go SEA)

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