UCSF

ZINC25399800

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 2.01 4.61 -19.02 2 10 0 130 430.461 8
Mid Mid (pH 6-8) 2.01 6.76 -59.19 3 10 1 131 431.469 8

Activity (Go SEA)

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