UCSF

ZINC04660816

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2005 24 Yes

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) 2.57 3.67 -57.56 2 7 -1 119 343.34 4
Mid Mid (pH 6-8) 2.57 3.69 -127.06 1 7 -2 121 342.332 4

Activity (Go SEA)

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