UCSF

ZINC44121461

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 14 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) 0.40 2.31 -34.63 2 3 1 28 201.334 4
Lo Low (pH 4.5-6) 0.40 4.59 -96.49 3 3 2 29 202.342 4
Lo Low (pH 4.5-6) 0.40 2.19 -34.4 2 3 1 28 201.334 4

Activity (Go SEA)

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