UCSF

ZINC49124825

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 27 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) 4.12 12.74 -37.07 2 3 1 33 362.472 4
Hi High (pH 8-9.5) 4.12 10.55 -6.84 1 3 0 32 361.464 4
Lo Low (pH 4.5-6) 4.12 13.22 -88.36 3 3 2 34 363.48 4

Activity (Go SEA)

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