UCSF

ZINC16690133

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 30 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) 4.16 9.92 -40.02 1 7 0 76 430.574 6
Mid Mid (pH 6-8) 4.16 9.21 -41.12 2 7 1 73 431.582 6

Activity (Go SEA)

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