UCSF

ZINC20394156

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 17 Yes

Other Names:

MFCD11575727

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) 1.11 4.06 -55.64 3 5 1 66 235.311 1
Hi High (pH 8-9.5) 1.11 2.65 -9.07 2 5 0 61 234.303 1

Activity (Go SEA)

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