UCSF

ZINC37188724

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 2.05 4.4 -41.26 2 3 1 23 266.453 7
Hi High (pH 8-9.5) 2.05 3.34 -2.22 1 3 0 19 265.445 7
Mid Mid (pH 6-8) 2.05 7.73 -78.76 3 3 2 21 267.461 7
Mid Mid (pH 6-8) 2.05 5.47 -31.31 2 3 1 20 266.453 7
Mid Mid (pH 6-8) 2.05 6.66 -113.41 3 3 2 24 267.461 7

Activity (Go SEA)

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