UCSF

ZINC36236387

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) -0.31 -3.33 -54.2 4 7 0 115 236.231 2
Mid Mid (pH 6-8) -0.77 -1.47 -55.56 5 7 1 111 237.239 2

Activity (Go SEA)

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