UCSF

ZINC04314870

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 28 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) 2.28 10.51 -15 2 8 0 102 381.436 5
Mid Mid (pH 6-8) 2.28 10.94 -41.16 3 8 1 103 382.444 5

Activity (Go SEA)

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