UCSF

ZINC61714972

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 16 Yes

Other Names:

MFCD18325050

Download: MOL2 SDF SMILES Flexibase

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) 1.40 5.5 -78.76 2 5 0 74 222.244 4
Hi High (pH 8-9.5) 1.40 3.1 -64.27 1 5 -1 72 221.236 4

Activity (Go SEA)

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