UCSF

ZINC08636200

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2007 32 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) 2.71 10.04 -119.01 3 7 2 69 438.572 8
Lo Low (pH 4.5-6) 2.71 10.32 -194.43 4 7 3 71 439.58 8

Activity (Go SEA)

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