UCSF

ZINC38437206

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 17 No

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) 2.50 5.41 -11.74 1 4 0 47 252.701 4
Lo Low (pH 4.5-6) 2.50 5.83 -36.36 2 4 1 48 253.709 4

Activity (Go SEA)

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