UCSF

ZINC19999671

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 2.14 6.23 -59.75 0 8 -1 95 439.488 8
Mid Mid (pH 6-8) 2.14 8.57 -72.37 1 8 0 96 440.496 8

Activity (Go SEA)

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