UCSF

ZINC25406574

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 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) 3.01 4.01 -18.1 3 6 0 98 402.497 7
Hi High (pH 8-9.5) 3.01 4.68 -46.01 2 6 -1 96 401.489 7

Activity (Go SEA)

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