UCSF

ZINC03922892

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2005 27 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) 4.40 3.08 -14.71 1 5 0 67 381.329 6
Mid Mid (pH 6-8) 4.40 3.18 -36.69 2 5 1 69 382.337 6

Activity (Go SEA)

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