UCSF

ZINC30030789

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2009 22 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) 3.35 7.69 -7.54 0 3 0 24 314.454 2
Mid Mid (pH 6-8) 3.35 10.11 -49.29 1 3 1 25 315.462 2

Activity (Go SEA)

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