UCSF

ZINC34370172

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 21 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) 4.88 7.6 -6.97 1 4 0 56 292.375 1
Hi High (pH 8-9.5) 4.88 8.6 -52.26 0 4 -1 59 291.367 1

Activity (Go SEA)

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