UCSF

ZINC19900947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 Yes

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) 2.27 7.3 -77.29 3 3 2 21 257.466 7
Hi High (pH 8-9.5) 2.27 5.25 -33.1 2 3 1 20 256.458 7

Activity (Go SEA)

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