UCSF

ZINC37051865

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) -0.77 1.44 -39.93 3 5 1 64 240.327 6
Hi High (pH 8-9.5) -0.77 0 -11.5 2 5 0 59 239.319 6
Lo Low (pH 4.5-6) -0.77 1.6 -95.43 4 5 2 65 241.335 6

Activity (Go SEA)

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