UCSF

ZINC12442458

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 29 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) 3.89 9.18 -13.57 0 5 0 56 384.435 3
Lo Low (pH 4.5-6) 3.89 2.32 -114.19 2 5 2 58 386.451 3
Lo Low (pH 4.5-6) 3.89 9.65 -44.64 1 5 1 57 385.443 3

Activity (Go SEA)

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