UCSF

ZINC13689238

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 No

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) 2.19 5.72 -63.11 0 8 -1 91 457.528 8
Mid Mid (pH 6-8) 2.64 6.72 -61.99 2 8 1 90 459.544 7
Mid Mid (pH 6-8) 1.61 7.92 -67.37 1 8 1 87 459.544 8
Mid Mid (pH 6-8) 2.19 8.06 -78.98 1 8 0 93 458.536 8

Activity (Go SEA)

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