UCSF

ZINC04093087

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 36 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) 3.08 7.93 -19.12 2 8 0 101 490.535 5
Lo Low (pH 4.5-6) 3.08 8.21 -45.49 3 8 1 102 491.543 5

Activity (Go SEA)

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