UCSF

ZINC42459934

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.18 5.73 -39.07 2 5 1 47 255.386 8
Hi High (pH 8-9.5) 1.18 4.35 -4.64 1 5 0 42 254.378 8
Lo Low (pH 4.5-6) 1.18 5.86 -93.42 3 5 2 48 256.394 8

Activity (Go SEA)

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