UCSF

ZINC32771844

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 25 No

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) 3.02 12.64 -50.7 1 4 1 42 337.443 4
Mid Mid (pH 6-8) 3.02 10.36 -11.52 0 4 0 41 336.435 4
Mid Mid (pH 6-8) 3.02 9.94 -10.9 0 4 0 41 336.435 4

Activity (Go SEA)

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