UCSF

ZINC34681491

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.12 10.02 -10.84 1 5 0 48 406.917 5
Mid Mid (pH 6-8) 4.12 12.24 -41.04 2 5 1 50 407.925 5
Lo Low (pH 4.5-6) 4.12 12.6 -100.41 3 5 2 51 408.933 5

Activity (Go SEA)

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