UCSF

ZINC37319668

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 2.68 10.4 -130.16 3 2 2 21 310.482 4
Hi High (pH 8-9.5) 2.68 8.47 -46.53 2 2 1 20 309.474 4
Mid Mid (pH 6-8) 2.68 9.6 -39.93 2 2 1 16 309.474 4

Activity (Go SEA)

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