UCSF

ZINC36300414

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 18 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) -1.08 -1.19 -50.1 4 6 1 78 257.358 6
Hi High (pH 8-9.5) -1.08 -2.52 -11.95 3 6 0 73 256.35 6
Mid Mid (pH 6-8) -1.08 1.04 -111.87 5 6 2 79 258.366 6

Activity (Go SEA)

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