UCSF

ZINC36860684

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 2.28 8.36 -38.91 1 4 1 30 329.262 3
Mid Mid (pH 6-8) 2.28 6.22 -6.34 0 4 0 28 328.254 3

Activity (Go SEA)

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