UCSF

ZINC32740485

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 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) 4.88 7.87 -11.58 1 5 0 65 448.338 6
Mid Mid (pH 6-8) 4.88 7.94 -41.81 0 5 -1 67 447.33 6

Activity (Go SEA)

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