UCSF

ZINC02721302

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 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) 3.28 -0.1 -11.98 1 6 0 65 367.449 7
Mid Mid (pH 6-8) -0.13 0.12 -36.85 2 6 1 67 368.457 7

Activity (Go SEA)

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