UCSF

ZINC02487983

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 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) 3.92 11.47 -15.31 1 5 0 63 360.461 5
Mid Mid (pH 6-8) 3.92 12.37 -29.53 3 5 1 68 361.469 5
Mid Mid (pH 6-8) 3.92 11.96 -29.1 2 5 1 65 361.469 5
Lo Low (pH 4.5-6) 3.92 11.79 -35.41 2 5 1 65 361.469 5

Activity (Go SEA)

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