UCSF

ZINC31945206

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 Yes

Other Names:

MFCD27986466

N/A

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.72 4 -78.88 2 5 0 78 292.36 6
Hi High (pH 8-9.5) 1.72 2.32 -66.1 1 5 -1 76 291.352 6

Activity (Go SEA)

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