UCSF

ZINC34668296

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 2.58 9.65 -51.24 2 6 1 63 391.495 6
Mid Mid (pH 6-8) 2.58 7.44 -9.78 1 6 0 62 390.487 6
Lo Low (pH 4.5-6) 2.58 10.11 -97.56 3 6 2 64 392.503 6

Activity (Go SEA)

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