UCSF

ZINC45685935

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.23 4.12 -45.16 3 5 1 72 268.333 8
Hi High (pH 8-9.5) 2.23 3 -7.83 2 5 0 68 267.325 8

Activity (Go SEA)

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