UCSF

ZINC31903574

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 35 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) 4.55 12.61 -18.21 1 6 0 68 490.003 8
Mid Mid (pH 6-8) 4.55 13.01 -47.6 2 6 1 69 491.011 8

Activity (Go SEA)

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