UCSF

ZINC13728674

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 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) 0.86 3.66 -15.84 1 6 0 83 381.457 4
Lo Low (pH 4.5-6) 0.86 3.94 -47.47 2 6 1 85 382.465 4
Lo Low (pH 4.5-6) 0.86 3.94 -54.7 2 6 1 85 382.465 4
Lo Low (pH 4.5-6) 0.86 4.21 -100.51 3 6 2 86 383.473 4

Activity (Go SEA)

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