UCSF

ZINC34342681

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 15 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) 2.80 4.53 -8.26 1 3 0 46 220.659 1
Mid Mid (pH 6-8) 3.25 2.67 -47.3 0 3 -1 49 219.651 1

Activity (Go SEA)

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