UCSF

ZINC08598198

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2007 35 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 10.96 -60.51 1 7 1 79 490.605 4
Mid Mid (pH 6-8) 2.67 8.75 -17.7 0 7 0 78 489.597 4

Activity (Go SEA)

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