UCSF

ZINC28182445

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 31 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) 4.62 11.77 -39.93 1 6 0 72 420.509 7
Mid Mid (pH 6-8) 4.62 10.97 -53.48 2 6 1 69 421.517 7

Activity (Go SEA)

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