UCSF

ZINC70505897

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 4.51 11.91 -42.07 1 2 1 22 313.248 7
Hi High (pH 8-9.5) 4.51 9.43 -7.04 0 2 0 20 312.24 7

Activity (Go SEA)

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