UCSF

ZINC36907014

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) -0.53 0.13 -90.48 5 5 2 70 243.351 4
Mid Mid (pH 6-8) -0.34 -1.41 -53.15 4 5 1 77 242.343 4

Activity (Go SEA)

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