UCSF

ZINC35499399

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.18 2.46 -39.62 2 6 1 51 312.434 9
Hi High (pH 8-9.5) 0.18 -0.28 -6.95 1 6 0 50 311.426 9
Lo Low (pH 4.5-6) 0.18 1.93 -45.69 2 6 1 51 312.434 9

Activity (Go SEA)

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