UCSF

ZINC08692771

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 25 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) 4.26 7.14 -17.27 2 5 0 75 373.503 6
Mid Mid (pH 6-8) 4.71 5.9 -47.5 1 5 -1 78 372.495 6

Activity (Go SEA)

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