UCSF

ZINC36391580

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2009 31 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) 2.15 11.59 -66.13 2 11 1 126 433.489 8
Mid Mid (pH 6-8) 2.15 9.38 -24.39 1 11 0 125 432.481 8

Activity (Go SEA)

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