UCSF

ZINC50499378

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2010 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) 3.33 7.27 -15.3 1 4 0 65 299.131 1
Hi High (pH 8-9.5) 3.33 6.84 -38.47 0 4 -1 64 298.123 1
Lo Low (pH 4.5-6) 3.33 7.72 -38.34 2 4 1 67 300.139 1

Activity (Go SEA)

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