UCSF

ZINC37051833

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) -0.88 2.78 -50.1 3 5 1 64 237.327 4
Hi High (pH 8-9.5) -0.88 1.41 -12.28 2 5 0 59 236.319 4
Lo Low (pH 4.5-6) -0.88 2.95 -107.98 4 5 2 65 238.335 4

Activity (Go SEA)

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