UCSF

ZINC03418604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 24 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) 3.80 12.46 -11.1 0 4 0 43 324.334 2
Mid Mid (pH 6-8) 3.81 14.01 -49.14 2 4 1 47 325.342 2
Lo Low (pH 4.5-6) 3.80 12.78 -35.43 1 4 1 45 325.342 2

Activity (Go SEA)

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