UCSF

ZINC36732066

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 2.11 8.21 -107.34 4 2 2 32 234.387 8
Hi High (pH 8-9.5) 2.11 7.83 -33.61 3 2 1 30 233.379 8
Mid Mid (pH 6-8) 2.11 6.12 -43.65 3 2 1 31 233.379 8

Activity (Go SEA)

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