UCSF

ZINC20160414

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 24 Yes

CAS Number:

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) 4.40 8.67 -6.84 0 3 0 24 330.516 2
Mid Mid (pH 6-8) 4.40 10.89 -47.48 1 3 1 25 331.524 2

Activity (Go SEA)

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