UCSF

ZINC03365858

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 19 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) 1.71 7.62 -48.56 2 4 1 50 276.385 2
Hi High (pH 8-9.5) 2.17 4.93 -45.09 1 4 0 53 275.377 2

Activity (Go SEA)

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