UCSF

ZINC19855389

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 3.74 8.41 -20.01 1 5 0 50 366.44 5
Mid Mid (pH 6-8) 3.74 10.72 -58.87 2 5 1 51 367.448 5
Mid Mid (pH 6-8) 3.74 8.81 -33.48 2 5 1 51 367.448 5
Lo Low (pH 4.5-6) 3.74 11.12 -113.91 3 5 2 53 368.456 5

Activity (Go SEA)

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