UCSF

ZINC44685469

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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 8.9 -43.21 2 2 1 20 291.434 7
Lo Low (pH 4.5-6) 3.40 11.24 -116.79 3 2 2 21 292.442 7
Lo Low (pH 4.5-6) 3.40 10.42 -34.2 2 2 1 16 291.434 7

Activity (Go SEA)

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