UCSF

ZINC34361753

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 19 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) 4.70 7.88 -9.15 1 3 0 47 268.328 8
Hi High (pH 8-9.5) 4.70 8.66 -38.78 0 3 -1 49 267.32 8

Activity (Go SEA)

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