UCSF

ZINC37033098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 1.01 3.96 -41.44 3 5 1 72 257.335 7
Hi High (pH 8-9.5) 1.01 2.53 -11.33 2 5 0 67 256.327 7

Activity (Go SEA)

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