UCSF

ZINC34332543

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 23 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) 0.60 8.19 -91.6 4 4 2 52 317.477 4
Mid Mid (pH 6-8) 0.60 7.85 -31.74 3 4 1 51 316.469 4

Activity (Go SEA)

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