UCSF

ZINC34994458

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 No

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) 1.21 3.36 -59.28 2 5 1 69 300.4 6
Hi High (pH 8-9.5) 1.21 2.17 -14.73 1 5 0 65 299.392 6

Activity (Go SEA)

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