UCSF

ZINC13945464

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2008 24 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) 0.21 4.1 -18.86 1 8 0 85 368.488 6
Hi High (pH 8-9.5) 0.40 3.02 -46.99 0 8 -1 92 367.48 6

Activity (Go SEA)

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