UCSF

ZINC32003651

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 3.77 4.99 -8.51 1 3 0 39 264.708 3
Hi High (pH 8-9.5) 3.77 5.64 -43.15 0 3 -1 42 263.7 3

Activity (Go SEA)

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