UCSF

ZINC36619657

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 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) 3.30 7.91 -62.55 0 6 -1 79 380.42 7
Lo Low (pH 4.5-6) 3.30 7.16 -13.83 1 6 0 76 381.428 7

Activity (Go SEA)

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