UCSF

ZINC31903414

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 32 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) 3.89 10.72 -13.23 0 6 0 49 435.568 11
Mid Mid (pH 6-8) 3.89 11.11 -34.66 1 6 1 50 436.576 11

Activity (Go SEA)

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