UCSF

ZINC37232521

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) 4.51 7.2 -36.12 3 2 1 29 267.481 3
Hi High (pH 8-9.5) 4.51 7.12 -31.06 3 2 1 29 267.481 3
Mid Mid (pH 6-8) 4.51 8.17 -100.82 4 2 2 33 268.489 3

Activity (Go SEA)

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