UCSF

ZINC32195887

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 24 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) 1.30 7.69 -19.9 1 6 0 77 342.424 4
Lo Low (pH 4.5-6) 1.30 8.11 -56.81 2 6 1 78 343.432 4

Activity (Go SEA)

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