UCSF

ZINC00420624

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 2.55 -5.23 -13.2 5 6 0 106 303.391 4
Lo Low (pH 4.5-6) 2.55 -4.84 -107.16 7 6 2 109 305.407 4
Lo Low (pH 4.5-6) 2.55 -5.03 -33.01 6 6 1 108 304.399 4

Activity (Go SEA)

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