UCSF

ZINC36749672

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 21 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) 3.05 2.06 -10.63 2 5 0 79 306.387 4
Mid Mid (pH 6-8) 3.05 4.36 -45.23 1 5 -1 81 305.379 4

Activity (Go SEA)

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