UCSF

ZINC34948520

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 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) 3.64 14.49 -41.2 4 9 1 103 436.54 8
Hi High (pH 8-9.5) 3.64 12.04 -9.55 3 9 0 102 435.532 8

Activity (Go SEA)

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