UCSF

ZINC33587422

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 39 No

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) 4.62 12.12 -43.53 0 7 -1 82 525.625 10
Mid Mid (pH 6-8) 4.62 14.46 -57.83 1 7 0 83 526.633 10
Lo Low (pH 4.5-6) 4.62 13.33 -56.23 2 7 1 81 527.641 10

Activity (Go SEA)

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