UCSF

ZINC02921403

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 37 Yes

Other Names:

MFCD01142554

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) 9.04 1.56 -11.29 1 3 0 37 478.595 6
Mid Mid (pH 6-8) 9.04 1.76 -34.04 2 3 1 39 479.603 6

Activity (Go SEA)

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