UCSF

ZINC42277128

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 3.80 7.84 -35.55 2 2 1 20 261.433 7
Hi High (pH 8-9.5) 3.80 6.91 -1.53 1 2 0 15 260.425 7
Mid Mid (pH 6-8) 3.80 9.29 -36.79 2 2 1 16 261.433 7
Lo Low (pH 4.5-6) 3.80 10.21 -113.3 3 2 2 21 262.441 7

Activity (Go SEA)

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