UCSF

ZINC21640265

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 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) 3.97 9.92 -7.45 0 5 0 41 366.509 5
Mid Mid (pH 6-8) 3.97 12.35 -41.13 1 5 1 43 367.517 5
Mid Mid (pH 6-8) 3.97 10.23 -32.59 1 5 1 43 367.517 5

Activity (Go SEA)

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