UCSF

ZINC01131756

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 25 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) 2.95 2.55 -17.39 1 7 0 93 449.348 6
Mid Mid (pH 6-8) 2.95 2.56 -50.53 0 7 -1 95 448.34 6

Activity (Go SEA)

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