UCSF

ZINC32108972

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 14 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) 2.11 3.6 -41.84 3 2 1 37 257.151 2
Hi High (pH 8-9.5) 2.11 2.25 -5.68 2 2 0 32 256.143 2

Activity (Go SEA)

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