UCSF

ZINC34970064

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 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) 3.95 10.95 -11.12 1 5 0 53 454.014 10
Mid Mid (pH 6-8) 3.95 13.21 -55.12 2 5 1 54 455.022 10

Activity (Go SEA)

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