UCSF

ZINC15484855

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2008 27 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) 2.67 8.25 -19.7 1 6 0 69 384.505 7
Mid Mid (pH 6-8) 2.67 10.5 -59.7 2 6 1 70 385.513 7

Activity (Go SEA)

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