UCSF

ZINC37213697

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 2.49 6.95 -101.85 3 3 2 24 255.45 7
Mid Mid (pH 6-8) 2.49 4.47 -38.42 2 3 1 23 254.442 7
Lo Low (pH 4.5-6) 2.49 9.22 -181.06 4 3 3 25 256.458 7

Activity (Go SEA)

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