UCSF

ZINC35893757

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 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) 1.95 8.31 -15.11 1 8 0 74 436.56 6
Mid Mid (pH 6-8) 1.95 10.58 -50.51 2 8 1 75 437.568 6

Activity (Go SEA)

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