UCSF

ZINC34870517

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 24 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) 2.96 10.3 -39.14 1 5 1 37 409.377 3
Mid Mid (pH 6-8) 2.96 7.95 -7.43 0 5 0 35 408.369 3
Lo Low (pH 4.5-6) 2.96 10.64 -91.61 2 5 2 38 410.385 3

Activity (Go SEA)

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