UCSF

ZINC36876600

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 3.18 7.44 -36.05 3 3 1 45 256.373 2
Hi High (pH 8-9.5) 3.18 6.85 -6.45 2 3 0 41 255.365 2
Lo Low (pH 4.5-6) 3.18 7.93 -108.97 4 3 2 47 257.381 2

Activity (Go SEA)

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