UCSF

ZINC32124154

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 30 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) 1.60 3.21 -20.7 3 8 0 117 409.442 8
Ref Reference (pH 7) 1.41 5.88 -18.99 3 8 0 114 409.442 8

Activity (Go SEA)

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