UCSF

ZINC31992262

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 2.97 4.58 -18.95 4 4 0 70 262.316 0
Mid Mid (pH 6-8) 2.97 4.57 -75.42 5 4 1 72 263.324 0
Mid Mid (pH 6-8) 2.97 4.44 -74.82 5 4 1 72 263.324 0
Lo Low (pH 4.5-6) 2.97 4.99 -95.35 6 4 2 73 264.332 0
Lo Low (pH 4.5-6) 2.97 4.86 -97.4 6 4 2 73 264.332 0

Activity (Go SEA)

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