UCSF

ZINC44420134

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 19 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) 2.40 5.18 -38.81 4 5 1 69 266.365 6
Hi High (pH 8-9.5) 2.40 2.95 -4.66 3 5 0 68 265.357 6

Activity (Go SEA)

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