UCSF

ZINC37085680

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.65 5.35 -39.77 2 5 1 61 252.338 4
Mid Mid (pH 6-8) 0.65 4.33 -8.77 1 5 0 56 251.33 4
Lo Low (pH 4.5-6) 0.65 5.51 -98.72 3 5 2 62 253.346 4

Activity (Go SEA)

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