UCSF

ZINC32964150

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2009 23 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) 3.40 6.12 -14.22 1 5 0 59 380.238 5
Mid Mid (pH 6-8) 3.40 7.02 -51.08 0 5 -1 62 379.23 5

Activity (Go SEA)

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