UCSF

ZINC36763613

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 1.32 1.78 -42.04 3 5 1 69 251.354 2
Mid Mid (pH 6-8) 1.32 0.13 -44.25 3 5 1 70 251.354 2
Lo Low (pH 4.5-6) 1.32 2.04 -108.16 4 5 2 71 252.362 2

Activity (Go SEA)

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