UCSF

ZINC19470553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 1.70 4.64 -7.69 0 3 0 24 301.159 1
Mid Mid (pH 6-8) 1.70 7.03 -46.69 1 3 1 25 302.167 1

Activity (Go SEA)

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