UCSF

ZINC33121171

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 32 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) 3.40 7.12 -51.55 4 7 1 95 459.636 9
Hi High (pH 8-9.5) 3.40 7.19 -66.8 3 7 0 97 458.628 9
Hi High (pH 8-9.5) 3.40 5.71 -14.28 3 7 0 91 458.628 9

Activity (Go SEA)

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