UCSF

ZINC18219663

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 19 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) 2.08 8.68 -48.91 2 5 1 53 263.365 2
Mid Mid (pH 6-8) 2.08 6.46 -8.87 1 5 0 52 262.357 2
Mid Mid (pH 6-8) 4.48 7.23 -12.4 1 5 0 60 384.501 6

Activity (Go SEA)

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