UCSF

ZINC32091647

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 4.70 9.26 -14.16 2 5 0 75 397.525 2
Hi High (pH 8-9.5) 5.34 5.56 -52.38 1 5 -1 81 396.517 2

Activity (Go SEA)

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