UCSF

ZINC36794457

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.12 5.51 -50.23 3 3 1 40 303.348 4
Mid Mid (pH 6-8) 3.12 5.27 -4.26 2 3 0 38 302.34 4

Activity (Go SEA)

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