UCSF

ZINC45664028

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 3.27 9.09 -90.31 3 2 2 21 256.459 8
Hi High (pH 8-9.5) 3.27 7.88 -33.92 2 2 1 16 255.451 8

Activity (Go SEA)

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