UCSF

ZINC20119649

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 22 No

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) 2.13 3.43 -46.42 1 6 -1 91 361.175 2
Mid Mid (pH 6-8) 1.67 5.21 -11.48 2 6 0 88 362.183 2

Activity (Go SEA)

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