UCSF

ZINC44889276

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 23 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) 2.34 8.26 -34.39 1 5 1 42 313.425 3
Hi High (pH 8-9.5) 2.34 7.82 -14.14 0 5 0 41 312.417 3
Lo Low (pH 4.5-6) 2.34 10.02 -46.43 1 5 1 42 313.425 3

Activity (Go SEA)

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