UCSF

ZINC16512757

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2008 29 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) 2.13 5.26 -20.01 2 8 0 97 396.447 7
Mid Mid (pH 6-8) 2.59 4.86 -54.88 2 8 0 101 396.447 7

Activity (Go SEA)

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