UCSF

ZINC14069414

Substance Information

In ZINC since Heavy atoms Benign functionality
July 2nd, 2008 28 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) 2.28 4.16 -29.15 1 7 0 86 418.544 4
Mid Mid (pH 6-8) 2.28 6.12 -84.99 2 7 1 88 419.552 4

Activity (Go SEA)

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