UCSF

ZINC49067323

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 32 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) 2.10 8.06 -36.5 2 8 1 75 456.592 5
Mid Mid (pH 6-8) 2.10 5.85 -11.58 1 8 0 74 455.584 5
Lo Low (pH 4.5-6) 2.10 10.48 -87.92 3 8 2 76 457.6 5

Activity (Go SEA)

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