UCSF

ZINC02487985

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 -16.37 1 5 0 63 360.461 5
Mid Mid (pH 6-8) 3.92 12.38 -29.53 3 5 1 68 361.469 5
Mid Mid (pH 6-8) 3.92 11.49 -28.84 2 5 1 65 361.469 5
Lo Low (pH 4.5-6) 3.92 11.31 -35.04 2 5 1 65 361.469 5

Activity (Go SEA)

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