UCSF

ZINC32735841

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 22 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) 3.98 7.61 -57.25 2 4 1 44 365.247 6
Mid Mid (pH 6-8) 3.98 6.2 -7.87 1 4 0 40 364.239 6

Activity (Go SEA)

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