UCSF

ZINC37051868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) -0.57 4.95 -55.05 2 4 1 58 205.285 3
Mid Mid (pH 6-8) -0.57 3.57 -10.35 1 4 0 54 204.277 3
Lo Low (pH 4.5-6) -0.57 5.12 -116.83 3 4 2 59 206.293 3

Activity (Go SEA)

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