UCSF

ZINC29559504

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 29 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) 3.88 13 -46.2 2 5 1 38 396.534 7
Hi High (pH 8-9.5) 3.88 10.76 -10.25 1 5 0 36 395.526 7
Mid Mid (pH 6-8) 3.88 13.25 -44.32 2 5 1 38 396.534 7
Mid Mid (pH 6-8) 3.88 13.67 -78.74 3 5 2 39 397.542 7
Mid Mid (pH 6-8) 3.88 13.43 -97.11 3 5 2 39 397.542 7
Lo Low (pH 4.5-6) 3.88 15.91 -187.12 4 5 3 40 398.55 7

Activity (Go SEA)

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