UCSF

ZINC70518401

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 2.45 3.29 -30.28 4 4 1 66 280.388 5
Hi High (pH 8-9.5) 2.45 2.95 -7.26 3 4 0 65 279.38 5

Activity (Go SEA)

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