UCSF

ZINC11821474

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 25 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) 4.34 11.56 -35.38 2 3 1 33 334.487 3
Mid Mid (pH 6-8) 4.34 9.95 -7.41 1 3 0 32 333.479 3
Mid Mid (pH 6-8) 4.34 10.3 -33.31 2 3 1 33 334.487 3

Activity (Go SEA)

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