UCSF

ZINC09160389

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 32 No

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) -0.98 9.95 -103.09 4 8 2 101 431.496 6
Mid Mid (pH 6-8) -0.98 9.44 -53.41 3 8 1 99 430.488 6

Activity (Go SEA)

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