UCSF

ZINC24988949

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 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) 3.32 4.51 -9.65 1 5 0 54 361.511 4
Mid Mid (pH 6-8) 3.32 4.9 -34.91 2 5 1 56 362.519 4
Mid Mid (pH 6-8) 3.32 6.83 -40.65 2 5 1 56 362.519 4
Lo Low (pH 4.5-6) 3.32 7.22 -84.97 3 5 2 57 363.527 4

Activity (Go SEA)

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