UCSF

ZINC35486902

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 32 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) 3.87 10.14 -47.02 2 7 1 84 502.385 6
Hi High (pH 8-9.5) 3.87 11.06 -70.35 1 7 0 87 501.377 6

Activity (Go SEA)

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