UCSF

ZINC35429290

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 28 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) 1.81 8.52 -47.23 2 7 1 72 384.504 8
Hi High (pH 8-9.5) 1.81 6.42 -15.87 1 7 0 70 383.496 8

Activity (Go SEA)

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