UCSF

ZINC50848742

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2010 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) 1.70 5.4 -9.43 1 4 0 51 228.299 4
Mid Mid (pH 6-8) 1.70 5.87 -28.01 2 4 1 52 229.307 4
Lo Low (pH 4.5-6) 1.70 6.28 -82.47 3 4 2 53 230.315 4

Activity (Go SEA)

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