UCSF

ZINC36981737

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 0.85 2.65 -49.87 1 7 -1 99 307.392 8
Hi High (pH 8-9.5) 0.85 2.48 -95.42 0 7 -2 101 306.384 8
Lo Low (pH 4.5-6) 0.85 0.67 -13.86 2 7 0 96 308.4 8

Activity (Go SEA)

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