UCSF

ZINC32102057

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 27 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) 2.05 4.76 -13.98 2 7 0 89 365.389 4
Ref Reference (pH 7) 1.86 7.41 -13.99 2 7 0 86 365.389 4

Activity (Go SEA)

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