UCSF

ZINC37803760

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.49 3.53 -55.07 4 6 1 94 309.415 5
Hi High (pH 8-9.5) 0.95 0.43 -59.95 2 6 -1 95 307.399 5
Mid Mid (pH 6-8) 0.49 3.23 -16.8 3 6 0 92 308.407 5

Activity (Go SEA)

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