UCSF

ZINC02721402

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 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) 3.13 -0.6 -19.03 1 6 0 65 367.449 8
Mid Mid (pH 6-8) -0.28 -0.43 -41.56 2 6 1 67 368.457 8

Activity (Go SEA)

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