UCSF

ZINC32538768

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 17 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) 3.14 8.53 -104.93 3 2 2 21 238.419 2
Hi High (pH 8-9.5) 3.14 6.08 -32.52 2 2 1 20 237.411 2
Mid Mid (pH 6-8) 3.14 7.82 -31.92 2 2 1 16 237.411 2

Activity (Go SEA)

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