UCSF

ZINC58490602

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2011 24 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) 1.00 5.18 -19.91 1 6 0 62 331.416 5
Mid Mid (pH 6-8) 1.00 7.38 -60.93 2 6 1 63 332.424 5

Activity (Go SEA)

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