UCSF

ZINC36226444

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 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) 0.26 1.06 -27.25 4 5 1 65 237.327 4
Hi High (pH 8-9.5) 0.26 0.73 -6.81 3 5 0 63 236.319 4
Mid Mid (pH 6-8) 0.26 3.34 -91.1 5 5 2 66 238.335 4

Activity (Go SEA)

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