UCSF

ZINC13385476

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 31 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) 4.34 11.61 -54.25 1 6 -1 96 421.469 4
Hi High (pH 8-9.5) 4.34 12.6 -113.98 0 6 -2 99 420.461 4

Activity (Go SEA)

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