UCSF

ZINC36326456

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 13 No

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) 0.24 1 -8.91 2 3 0 38 202.323 4
Mid Mid (pH 6-8) 0.24 3.15 -40.99 3 3 1 40 203.331 4

Activity (Go SEA)

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