UCSF

ZINC20455475

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 29 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) 2.53 4.44 -16.63 1 7 0 85 438.571 9
Hi High (pH 8-9.5) 2.53 3.97 -51.68 0 7 -1 87 437.563 9

Activity (Go SEA)

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