UCSF

ZINC03629616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 32 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) 5.87 10.72 -10.13 1 6 0 69 448.489 7
Mid Mid (pH 6-8) 5.94 8.79 -7.73 1 6 0 72 448.489 7

Activity (Go SEA)

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