UCSF

ZINC34933076

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 4.16 12.04 -64.28 0 7 -1 96 468.485 8
Mid Mid (pH 6-8) 4.16 11.29 -16.2 1 7 0 93 469.493 8

Activity (Go SEA)

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