UCSF

ZINC36876960

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 0.91 4.34 -54.08 4 4 1 66 282.314 5
Hi High (pH 8-9.5) 0.91 4.04 -11.14 3 4 0 64 281.306 5
Lo Low (pH 4.5-6) 0.91 4.95 -120.58 5 4 2 67 283.322 5

Activity (Go SEA)

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