UCSF

ZINC00640972

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 18 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) 4.18 7.73 -38.62 2 4 1 43 445.957 5
Hi High (pH 8-9.5) 4.18 5.16 -5.95 1 4 0 42 444.949 5

Activity (Go SEA)

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