UCSF

ZINC36780042

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 2.25 8.83 -56.03 0 4 -1 58 215.232 3
Mid Mid (pH 6-8) 2.25 9.32 -60.61 1 4 0 59 216.24 3

Activity (Go SEA)

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