UCSF

ZINC37292762

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 1.36 4.43 -39.13 4 4 1 60 274.388 4
Mid Mid (pH 6-8) 1.36 3.45 -49.97 4 4 1 63 274.388 4
Lo Low (pH 4.5-6) 1.36 5.7 -126.32 5 4 2 64 275.396 4

Activity (Go SEA)

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