UCSF

ZINC32540814

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 3.63 10.38 -54.15 3 6 1 71 364.473 8
Hi High (pH 8-9.5) 3.63 8.08 -19.7 2 6 0 70 363.465 8

Activity (Go SEA)

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