UCSF

ZINC34681871

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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
Hi High (pH 8-9.5) 3.44 9.6 -15.63 1 8 0 76 476.577 8
Mid Mid (pH 6-8) 3.44 11.77 -106.07 3 8 2 79 478.593 8

Activity (Go SEA)

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