UCSF

ZINC09707550

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 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) 3.58 2.4 -10.95 0 8 0 77 436.422 3
Mid Mid (pH 6-8) 3.58 2.84 -42.58 1 8 1 78 437.43 3

Activity (Go SEA)

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