UCSF

ZINC01076488

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 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) 2.72 5.91 -17.85 1 6 0 76 388.489 4
Mid Mid (pH 6-8) 2.72 5.93 -56.68 0 6 -1 78 387.481 4

Activity (Go SEA)

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