UCSF

ZINC34465168

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 38 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) 3.92 13.14 -75.98 2 7 0 86 509.654 9
Hi High (pH 8-9.5) 3.92 10.88 -53.9 1 7 -1 84 508.646 9
Mid Mid (pH 6-8) 3.46 13.57 -45.87 3 7 1 83 510.662 9

Activity (Go SEA)

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