UCSF

ZINC13618536

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 22 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) 4.21 7.39 -8.88 1 4 0 58 309.394 2
Ref Reference (pH 7) 4.21 7.68 -9.06 1 4 0 58 309.394 2
Ref Reference (pH 7) 3.72 7.32 -43.19 0 4 -1 57 308.386 3
Lo Low (pH 4.5-6) 4.21 7.9 -47.04 2 4 1 59 310.402 2

Activity (Go SEA)

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