UCSF

ZINC00516794

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 No

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) 3.75 7 -18.18 2 5 0 71 312.369 5
Hi High (pH 8-9.5) 3.75 7.78 -66.16 1 5 -1 74 311.361 5
Hi High (pH 8-9.5) 3.75 7.42 -46.68 1 5 -1 74 311.361 5

Activity (Go SEA)

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