UCSF

ZINC02973231

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 27 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) 2.54 7.4 -15.68 2 7 0 93 430.258 5
Hi High (pH 8-9.5) 2.99 6.26 -36.73 1 7 -1 96 429.25 5

Activity (Go SEA)

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