UCSF

ZINC32787936

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 18 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) 2.93 6.41 -5.34 0 3 0 24 252.402 3
Mid Mid (pH 6-8) 2.93 8.61 -41.85 1 3 1 25 253.41 3

Activity (Go SEA)

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