UCSF

ZINC61298902

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 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) 0.86 3.07 -42.08 3 5 1 58 312.459 8
Lo Low (pH 4.5-6) 0.86 4.82 -91.53 4 5 2 59 313.467 8

Activity (Go SEA)

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