UCSF

ZINC21814726

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 3.74 8.53 -39.9 2 2 1 20 263.449 9
Hi High (pH 8-9.5) 3.74 9.35 -31.78 2 2 1 16 263.449 9
Mid Mid (pH 6-8) 3.74 10.7 -124.58 3 2 2 21 264.457 9

Activity (Go SEA)

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