UCSF

ZINC04029159

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 26 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) 3.20 8.6 -45.54 2 5 1 52 356.442 5
Mid Mid (pH 6-8) 3.20 6.51 -7.82 1 5 0 51 355.434 5

Activity (Go SEA)

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