UCSF

ZINC36804553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 16 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) 2.57 7.32 -107.59 3 3 2 36 223.364 3
Hi High (pH 8-9.5) 2.57 5.65 -7.1 1 3 0 30 221.348 3
Mid Mid (pH 6-8) 2.57 6.86 -40.2 2 3 1 34 222.356 3

Activity (Go SEA)

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