UCSF

ZINC32765614

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 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 6.96 -58.61 1 7 -1 100 385.421 6
Hi High (pH 8-9.5) 3.63 7.03 -104.33 0 7 -2 103 384.413 6

Activity (Go SEA)

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