UCSF

ZINC19772617

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 3.15 9.08 -43.81 3 3 0 31 257.381 6
Mid Mid (pH 6-8) 3.15 8.59 -18.38 2 3 0 29 256.373 6
Mid Mid (pH 6-8) 3.15 8.5 -5.17 1 3 0 28 255.365 6

Activity (Go SEA)

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